SCHEMBL3618490

SCHEMBL3618490

CC(=O)c1c(OCCCCN2CCOCC2)c(OCCCc2ccccc2)c2occc2c1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.50
HTR1A P08908 3/20 0.47
KCNA3 P22001 5/20 0.45
POLB P06746 3/20 0.45
SIGMAR1 Q99720 1/20 0.45
HTR2A P28223 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNA2 P16389 1/20 0.43
KCNA5 P22460 1/20 0.43
KCNA1 Q09470 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3608694 0.97 ABCB1 (0.46) ABCB1HTR1AKCNA3POLBSIGMAR1
SCHEMBL3614647 0.96 MEN1 (0.48) ABCB1HTR1AKCNA3POLBSIGMAR1
SCHEMBL3601017 0.88 KCNA3 (0.46) ABCB1KCNA3KCNA2KCNA5KCNA1
SCHEMBL13408304 0.88 KCNA3 (0.46) KCNA3SIGMAR1KCNA2KCNA5KCNA1
SCHEMBL3616673 0.88 ABCB1 (0.46) ABCB1KCNA3KCNA2KCNA5KCNA1
SCHEMBL13442788 0.88 KCNA3 (0.55) KCNA3MEN1KMT2AKDM4EKCNA2
SCHEMBL3608936 0.87 KCNA3 (0.43) KCNA3POLBMEN1KMT2AKDM4E
SCHEMBL3609684 0.87 KCNA3 (0.45) HTR1AKCNA3HTR2AMEN1KMT2A
SCHEMBL3612048 0.86 KCNA3 (0.58) KCNA3
SCHEMBL3612388 0.85 KCNA3 (0.42) KCNA3POLBMEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US claimed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US claimed
WO-2008040057-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO claimed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
WO-2008040057-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO disclosed
WO-2008040057-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 ABCB1 302/4885HTR1A 4022/4885KCNA3 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.